2-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(quinolin-2-ylmethylsulfanyl)-1,3,4-oxadiazole

Systemtic Name: 2-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(quinolin-2-ylmethylsulfanyl)-1,3,4-oxadiazole Openeye Name: 2-(5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-(2-quinolylmethylsulfanyl)-1,3,4-oxadiazole CAS Name: 2-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(2-quinolinylmethylthio)-1,3,4-oxadiazole IUPAC Name: 2-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(quinolin-2-ylmethylsulfanyl)-1,3,4-oxadiazole Traditional Name: 2-(5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-(2-quinolylmethylthio)-1,3,4-oxadiazole Formula: C21H19N3OS2 MolecularWeight: 393.52506

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C3=NN=C(O3)SCC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C3=NN=C(O3)SCC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C21H19N3OS2/c1-13-6-9-18-15(10-13)11-19(27-18)20-23-24-21(25-20)26-12-16-8-7-14-4-2-3-5-17(14)22-16/h2-5,7-8,11,13H,6,9-10,12H2,1H3